SCHEMBL8768629

SCHEMBL8768629

O=C(O)CC(CC(=O)O)C1(O)CC=C([N+](=O)[O-])O1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
AKR1B1 P15121 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29098139 0.69
SCHEMBL9147377 0.67 AKR1B1 (0.32) AKR1B1
SCHEMBL11731888 0.61 MAPK1 (0.32) AKR1B1
SCHEMBL11744646 0.57 MALT1 (0.31)
SCHEMBL6550574 0.54 GRM8 (0.46) CYP1A2TSHR
SCHEMBL6474872 0.54 KMT2A (0.56)
SCHEMBL1857061 0.53 FNTA (0.58) CYP1A2TSHR
SCHEMBL27836708 0.53 GABBR2 (0.46) CYP1A2TSHR
SCHEMBL10417522 0.53 LMNA (0.46) CYP1A2TSHR
SCHEMBL2011902 0.51

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0359805-B2 USE OF SOLIDS AS ANTIBLOCKING ADDITIVES FOR MARKER LIQUIDS KAUFMANN R DATAPRINT (DE) 1997-09-03 EP disclosed
EP-0359805-B1 USE OF SOLIDS AS ANTIBLOCKING ADDITIVES FOR MARKER LIQUIDS KAUFMANN R DATAPRINT (DE) 1994-01-19 EP disclosed
US-5279652-A Use of solids as antiblocking additives for marker liquids EDDING AG (DE) 1994-01-18 US disclosed
EP-0359805-A1 USE OF SOLIDS AS ANTIBLOCKING ADDITIVES FOR MARKER LIQUIDS. KAUFMANN RAINER DATAPRINT (DE) 1990-03-28 EP disclosed
WO-1989009247-A1 USE OF SOLIDS AS ANTIBLOCKING ADDITIVES FOR MARKER LIQUIDS DATAPRINT DATENDRUCKSYSTEM R. KAUFMAN KG (DE) 1989-10-05 WO disclosed